N-Boc-3-aminothiophene - ≥96% , CAS No.19228-91-2

CAS: 19228-91-2 Cat. No.: I168235 Peso molecular: 199.27 Número EC: 694-526-3

GRADE & PURITY ≥96%

Synonyms

EN300-103695 | AKOS006227618 | PRWYQCYSADTIBZ-UHFFFAOYSA-N | SCHEMBL1680647 | SY030586 | DTXSID70353030 | tert-Butyl-N-(thiophen-3-yl)carbamate | tert-Butylthiophen-3-ylcarbamate | MFCD01928808 | 3-thiophenyl-carbamic acid tert-butyl ester | tert-Butyl th

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

EN300-103695 | AKOS006227618 | PRWYQCYSADTIBZ-UHFFFAOYSA-N | SCHEMBL1680647 | SY030586 | DTXSID70353030 | tert-Butyl-N-(thiophen-3-yl)carbamate | tert-Butylthiophen-3-ylcarbamate | MFCD01928808 | 3-thiophenyl-carbamic acid tert-butyl ester | tert-Butyl th

Especificaciones y pureza

≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%

Nombres e identificadores

• Pubchem Sid: 504760058
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760058
• Sonrisas canónicas: CC(C)(C)OC(=O)NC1=CSC=C1
• IUPAC Name: tert-butyl N-thiophen-3-ylcarbamate
• InChIKey: PRWYQCYSADTIBZ-UHFFFAOYSA-N
• INCHI: 1S/C9H13NO2S/c1-9(2,3)12-8(11)10-7-4-5-13-6-7/h4-6H,1-3H3,(H,10,11)
• Isómeros SMILES: CC(C)(C)OC(=O)NC1=CSC=C1
• WGK Alemania: 3
• Peso molecular: 199.27
• Reaxy-Rn: 4398915
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4398915&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Thiophenes Carbamate esters Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Carbamic acid ester - Thiophene - Carbonic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de fusión (°C): 135-140 °C
• Peso molecular: 199.270 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 199.067 Da
• Monoisotopic Mass: 199.067 Da
• Topological Polar Surface Area: 66.600 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 189.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1